Article,

Unrestricted Hartree–Fock theory and its applications to molecules and chemical reactions

.
International Journal of Quantum Chemistry, 20 (5): 955--1065 (November 1981)
DOI: 10.1002/qua.560200502

Abstract

A review of generalised Hartree-Fock theory, with emphasis on the unitary group structure and classification of possible symmetries, instabilities, algorithms, and relationships with the exact wave function. Chapter titles are: introduction; mathematical theory; applications of the UHF method to molecules and chemical reactions; further outlooks.

Tags

Users

  • @drmatusek

Comments and Reviews